[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol

C11H18N2O2S — CID 80617708

IUPAC[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CCCCC1Oc1nnc(CO)s1
InChIInChI=1S/C11H18N2O2S/c1-2-8-5-3-4-6-9(8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3
InChIKeyHTGHYAHIKOKCAJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.38
Rot. Bonds4

About [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol

[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80617708) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80617708
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CCCCC1Oc1nnc(CO)s1
InChIInChI=1S/C11H18N2O2S/c1-2-8-5-3-4-6-9(8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3
InChIKeyHTGHYAHIKOKCAJ-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (CID 80617708) is [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is CCC1CCCCC1Oc1nnc(CO)s1.
What is the InChIKey of [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is HTGHYAHIKOKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-8-5-3-4-6-9(8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3.
What are the key properties of [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
[5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 242.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80617708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).